Chemical Components in the PDB

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WXC : Summary

Code

WXC

One-letter code

X

Molecule name

2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one

Formula

C8 H9 N3 O

Formal charge

0

Molecular weight

163.177 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1ncc2C(=O)CCCc2n1
SMILES OpenEye OEToolkits 2.0.7 c1c2c(nc(n1)N)CCCC2=O
Canonical SMILES CACTVS 3.385 Nc1ncc2C(=O)CCCc2n1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1c2c(nc(n1)N)CCCC2=O

IUPAC InChI

InChI=1S/C8H9N3O/c9-8-10-4-5-6(11-8)2-1-3-7(5)12/h4H,1-3H2,(H2,9,10,11)

IUPAC InChI key

ZXWJMLMXKMSYTP-UHFFFAOYSA-N
WXC

wwPDB Information

Atom count

21 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-05-22

Last modified at

2024-05-10

Status

Released

Obsoleted

Not Assigned